SCHEMBL7918759

SCHEMBL7918759

c1cnc2ccc(-c3cccc4cccnc34)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
DYRK1A Q13627 1/20 0.54
TP53 P04637 3/20 0.50
TSHR P16473 3/20 0.50
MMP2 P08253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
HSP90AA1 P07900 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GMNN O75496 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
MMP8 P22894 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16483436 0.86 POLB (0.50) POLBNPC1RAB9ADYRK1ATP53
SCHEMBL9681324 0.86 CCR1 (0.55) POLBNPC1RAB9ATP53TSHR
SCHEMBL29654363 0.86 CCR1 (0.55) POLBNPC1RAB9ATP53TSHR
SCHEMBL16483484 0.85 POLB (0.49) POLBNPC1RAB9ADYRK1ATP53
SCHEMBL29377530 0.83 CYP2A6 (0.55) POLBNPC1RAB9ADYRK1ATP53
SCHEMBL17691832 0.83 CCR1 (0.55) POLBNPC1RAB9ATP53TSHR
SCHEMBL23016267 0.82 BRD4 (0.50) POLBNPC1RAB9ADYRK1ATP53
SCHEMBL4632539 0.81 POLB (0.65) POLBNPC1RAB9ADYRK1ATP53
SCHEMBL28255958 0.81 NPC1 (0.44) POLBNPC1RAB9ADYRK1ATP53
SCHEMBL17334526 0.81 CCR1 (0.62) POLBNPC1RAB9ATP53TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed